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CAS Number: 1531-18-6
2-ethylisonicotinonitrile

Structure

2-ethylisonicotinonitrile
Name: 2-ethylisonicotinonitrile
Synonyms:
General Information
Product Number: 1531186

CAS Registry Number: 1531-18-6

Name:

4-​Pyridinecarbonitrile​, 2-​ethyl-
Isonicotinonitrile, 2-​ethyl- (6CI,​7CI,​8CI); 2-​Ethyl-​4-​cyanopyridine; 2-​Ethyl-​4-​pyridinecarbonitrile; 2-​Ethylisonicotinonitr​ile; 4-​Cyano-​2-​ethylpyridine 

 

Chemical Formula: C8H8N2
Exact Mass: 132.07
Molecular Weight: 132.16
m/z: 132.07 (100.0%), 133.07 (9.4%)

 

InChI: InChI=1S/C8H8N2/c1-2-8-5-7(6-9)3-4-10-8/h3-5H,2H2,1H3
InChIKey: WERAOGVQORFBMU-UHFFFAOYSA-N
Canonical SMILES : CCC1=NC=CC(=C1)C#N

 

Thermal Properties Value Condition Note
Boiling Point 115-120 °C Press: 10 Torr (1)CAS
Boiling Point 110-130 °C Press: 30 Torr (2)CAS
Boiling Point 106-110 °C Press: 29 Torr (3)CAS
Boiling Point 97-99 °C Press: 15 Torr (4)CAS
Boiling Point 97-98 °C Press: 17 Torr (5)IC
Boiling Point 84 °C Press: 6 Torr (6)CAS

Specification

98%

References
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  2. (2) Nascimento, J. M.; Revista Portuguesa de Farmacia 1962, V12, P321-8 CAPLUS
  3. (3) Kucherova, N. F.; Zhurnal Obshchei Khimii 1959, V29, P915-19 CAPLUS
  4. (4) FR 1388418 1965 CAPLUS
  5. (5) Wang, Cheng-Hsia; Heterocycles 1979, V12(9), P1191-8 CAPLUS
  6. (6) Hoefling, Wilhelm; DD 33621 1964 CAPLUS
  7. (7) Tomino, Koichi; JP 38004587 B4 1963 CAPLUS
  8. (8) FR 1393092 1965 CAPLUS
  9. (9) Fuchs, Oszkar; HU 151529 1964 CAPLUS
  10. (10) Cardoso, Silvia H.; Journal of Sulfur Chemistry 2008, V29(2), P145-149 CAPLUS
  11. (11) Dewan, Sharwan K.; Synthetic Communications 2004, V34(11), P2025-2029 CAPLUS
  12. (12) Dabrowski, Janusz; PL 45711 1962 CAPLUS
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